DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3357770_dpp4

Atoms: 297
Models: 9
Best Energy: -8.472 kcal/mol

Binding Energies:
  • Pose 1: -8.472 kcal/mol
  • Pose 2: -8.307 kcal/mol
  • Pose 3: -8.203 kcal/mol
  • Pose 4: -7.984 kcal/mol
  • Pose 5: -7.923 kcal/mol
  • Pose 6: -7.921 kcal/mol
  • Pose 7: -7.917 kcal/mol
  • Pose 8: -7.897 kcal/mol
  • Pose 9: -7.869 kcal/mol
CHEMBL3357770_dpp4
Energy Plot
RMSD Scatter Plot